CID 24840757

2h-1,2,4-oxadiazine-5(6h)-thione, dihydro-2-acetyl-6-ethyl-3-phenyl-, cis-(+-)-

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CC[C@H]1C(=S)N[C@H](N(O1)C(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2S/c1-3-11-13(18)14-12(15(17-11)9(2)16)10-7-5-4-6-8-10/h4-8,11-12H,3H2,1-2H3,(H,14,18)/t11-,12+/m0/s1
InChIKey
UXILENOKGWONIK-NWDGAFQWSA-N
Compound name
1-[(3R,6S)-6-ethyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.100536 160.0
[M+Na]+ 287.082478 167.0
[M-H]- 263.085984 163.1
[M+NH4]+ 282.127083 172.6
[M+K]+ 303.056418 163.1
[M+H-H2O]+ 247.090520 152.2
[M+HCOO]- 309.091461 170.2
[M+CH3COO]- 323.107111 192.8
[M+Na-2H]- 285.067926 159.7
[M]+ 264.09271142 158.4
[M]- 264.09380858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.